Chemical Properties of 5-Acetamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

5-Acetamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

InChI
InChI=1S/C14H6Cl2F6N4O2S/c1-5(27)24-12-11(29(28)14(20,21)22)9(4-23)25-26(12)10-7(15)2-6(3-8(10)16)13(17,18)19/h2-3H,1H3,(H,24,27)
InChI Key
BICHUEJEIVUZMZ-UHFFFAOYSA-N
Formula
C14H6Cl2F6N4O2S
SMILES
CC(=O)Nc1c(S(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
Molecular Weight1
479.18
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Physical Properties

Property Value Unit Source
ω 0.8370 Relay (1.0) Calculated Property
ΔfG° -871.83 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1182.45 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 108.66 kJ/mol Relay (1.0) Calculated Property
IE 9.01 eV Relay (1.0) Calculated Property
log10WS -6.79 Relay (1.0) Calculated Property
logPoct/wat 4.655 Crippen Calculated Property
McVol 255.110 ml/mol McGowan Calculated Property
Pc 1592.56 kPa Relay (1.0-beta) Calculated Property
Inp 1968.00 NIST
Tboil 634.77 K Relay (1.0) Calculated Property
Tc 996.68 K Relay (1.0) Calculated Property
Tfus 451.24 K Relay (1.0) Calculated Property
Vc 0.928 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Sophoramine. Tinctorine. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to 5-Acetamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile.

Sources

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